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Generative protein language models are a natural way to design new proteins with desired functions. However, current models are either difficult to direct to produce a protein from a specific family of interest, or must be trained on a…

Quantitative Methods · Quantitative Biology 2024-01-08 Timothy F. Truong , Tristan Bepler

Directed evolution is an iterative laboratory process of designing proteins with improved function by iteratively synthesizing new protein variants and evaluating their desired property with expensive and time-consuming biochemical…

Machine Learning · Computer Science 2025-09-08 Matouš Soldát , Jiří Kléma

Fine-tuning models on edge devices like mobile phones would enable privacy-preserving personalization over sensitive data. However, edge training has historically been limited to relatively small models with simple architectures because…

Machine Learning · Computer Science 2022-07-19 Shishir G. Patil , Paras Jain , Prabal Dutta , Ion Stoica , Joseph E. Gonzalez

Directed evolution of proteins has been the most effective method for protein engineering. However, a new paradigm is emerging, fusing the library generation and screening approaches of traditional directed evolution with computation…

Biomolecules · Quantitative Biology 2023-05-29 Kadina E. Johnston , Clara Fannjiang , Bruce J. Wittmann , Brian L. Hie , Kevin K. Yang , Zachary Wu

Gene expression programming is an evolutionary optimization algorithm with the potential to generate interpretable and easily implementable equations for regression problems. Despite knowledge gained from previous optimizations being…

Neural and Evolutionary Computing · Computer Science 2025-02-05 Maximilian Reissmann , Yuan Fang , Andrew S. H. Ooi , Richard D. Sandberg

Protein language models (PLMs) learn probability distributions over natural protein sequences. By learning from hundreds of millions of natural protein sequences, protein understanding and design capabilities emerge. Recent works have shown…

Quantitative Methods · Quantitative Biology 2026-02-27 Timothy Fei Truong , Tristan Bepler

State-of-the-art visual generative AI tools hold immense potential to assist users in the early ideation stages of creative tasks -- offering the ability to generate (rather than search for) novel and unprecedented (instead of existing)…

Computer Vision and Pattern Recognition · Computer Science 2025-09-05 Evans Xu Han , Alice Qian Zhang , Haiyi Zhu , Hong Shen , Paul Pu Liang , Jane Hsieh

Finding the optimal parameter setting (i.e. the optimal population size, the optimal mutation probability, the optimal evolutionary model etc) for an Evolutionary Algorithm (EA) is a difficult task. Instead of evolving only the parameters…

Neural and Evolutionary Computing · Computer Science 2021-09-29 Mihai Oltean , Crina Groşan

The primary aim of automated performance improvement is to reduce the running time of programs while maintaining (or improving on) functionality. In this paper, Genetic Programming is used to find performance improvements in regular…

Neural and Evolutionary Computing · Computer Science 2017-04-14 Brendan Cody-Kenny , Michael Fenton , Adrian Ronayne , Eoghan Considine , Thomas McGuire , Michael O'Neill

Statistical post-processing of global ensemble weather forecasts is revisited by leveraging recent developments in machine learning. Verification of past forecasts is exploited to learn systematic deficiencies of numerical weather…

Atmospheric and Oceanic Physics · Physics 2023-10-23 Zied Ben-Bouallegue , Jonathan A Weyn , Mariana C A Clare , Jesper Dramsch , Peter Dueben , Matthew Chantry

A new model for evolving Evolutionary Algorithms (EAs) is proposed in this paper. The model is based on the Multi Expression Programming (MEP) technique. Each MEP chromosome encodes an evolutionary pattern that is repeatedly used for…

Neural and Evolutionary Computing · Computer Science 2021-10-13 Mihai Oltean

Resource constrained job scheduling is a hard combinatorial optimisation problem that originates in the mining industry. Off-the-shelf solvers cannot solve this problem satisfactorily in reasonable timeframes, while other solution methods…

Neural and Evolutionary Computing · Computer Science 2024-07-23 Su Nguyen , Dhananjay Thiruvady , Yuan Sun , Mengjie Zhang

With the volume of manuscripts submitted for publication growing every year, the deficiencies of peer review (e.g. long review times) are becoming more apparent. Editorial strategies, sets of guidelines designed to speed up the process and…

Digital Libraries · Computer Science 2017-12-06 Maciej J. Mrowinski , Piotr Fronczak , Agata Fronczak , Marcel Ausloos , Olgica Nedic

We propose an end-to-end trainable approach for multi-instance pose estimation, called POET (POse Estimation Transformer). Combining a convolutional neural network with a transformer encoder-decoder architecture, we formulate multiinstance…

Computer Vision and Pattern Recognition · Computer Science 2021-12-22 Lucas Stoffl , Maxime Vidal , Alexander Mathis

In this paper we demonstrate how genetic algorithms can be used to reverse engineer an evaluation function's parameters for computer chess. Our results show that using an appropriate expert (or mentor), we can evolve a program that is on…

Neural and Evolutionary Computing · Computer Science 2017-11-21 Eli David , Moshe Koppel , Nathan S. Netanyahu

Directed evolution is a versatile technique in protein engineering that mimics the process of natural selection by iteratively alternating between mutagenesis and screening in order to search for sequences that optimize a given property of…

Biomolecules · Quantitative Biology 2024-05-02 Lixue Cheng , Ziyi Yang , Changyu Hsieh , Benben Liao , Shengyu Zhang

The prediction of absorption, distribution, metabolism, excretion, and toxicity (ADMET) of small molecules from their molecular structure is a central problem in medicinal chemistry with great practical importance in drug discovery.…

Computational protein design facilitates discovery of novel proteins with prescribed structure and functionality. Exciting designs were recently reported using novel data-driven methodologies that can be roughly divided into two categories:…

Biological Physics · Physics 2023-03-28 Cyril Malbranke , David Bikard , Simona Cocco , Rémi Monasson , Jérôme Tubiana

In this paper we demonstrate how genetic algorithms can be used to reverse engineer an evaluation function's parameters for computer chess. Our results show that using an appropriate mentor, we can evolve a program that is on par with top…

Neural and Evolutionary Computing · Computer Science 2017-11-21 Eli David , Moshe Koppel , Nathan S. Netanyahu

Proximal Policy Optimization (PPO) is a widely used reinforcement learning algorithm known for its stability and sample efficiency, but it often suffers from premature convergence due to limited exploration. In this paper, we propose POEM…

Neural and Evolutionary Computing · Computer Science 2026-01-22 Casimir Czworkowski , Stephen Hornish , Alhassan S. Yasin
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